N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine

C10H19N3O — CID 104955905

IUPACN-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
SMILESCOC(C)C(C)Nc1cn(C)nc1C
InChIInChI=1S/C10H19N3O/c1-7(9(3)14-5)11-10-6-13(4)12-8(10)2/h6-7,9,11H,1-5H3
InChIKeyJYDQTEPZLDRZED-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine

N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 104955905) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID104955905
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine
SMILESCOC(C)C(C)Nc1cn(C)nc1C
InChIInChI=1S/C10H19N3O/c1-7(9(3)14-5)11-10-6-13(4)12-8(10)2/h6-7,9,11H,1-5H3
InChIKeyJYDQTEPZLDRZED-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
CID 102805303
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine
CID 115923272
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
4-[2-[(1,3-dimethylpyrazol-4-yl)amino]propyl]phenol
CID 102804155
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
1,3-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrazol-4-amine
CID 104955785
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
N-[1-(2-methoxyphenyl)propyl]-1,3-dimethylpyrazol-4-amine
CID 104955928

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine (CID 104955905) is N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine is COC(C)C(C)Nc1cn(C)nc1C.
What is the InChIKey of N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is JYDQTEPZLDRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(9(3)14-5)11-10-6-13(4)12-8(10)2/h6-7,9,11H,1-5H3.
What are the key properties of N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine?
N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 197.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104955905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).